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CHEBI:129344 - 1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-[4-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:129344
ChEBI Name1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-[4-(trifluoromethyl)phenyl]urea
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DownloadsMolfile
FormulaC29H33F3N4O6S2
Net Charge0
Average Mass654.733
Monoisotopic Mass654.17936
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H]1CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C29H33F3N4O6S2/c1-18-15-36(19(2)17-37)26(38)14-20-13-23(34-28(39)33-22-8-6-21(7-9-22)29(30,31)32)10-11-24(20)42-25(18)16-35(3)44(40,41)27-5-4-12-43-27/h4-13,18-19,25,37H,14-17H2,1-3H3,(H2,33,34,39)/t18-,19+,25+/m1/s1
InChIKeyRZPZGKHPZSWXCV-WYEJZRMESA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:129344) is a ureas (CHEBI:47857)
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